3-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl ethanesulfonate
3-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9907 |
| Compound Name: | 3-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H24 F N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(CC)(=O)=O)C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8111 |
| logD: | 3.8111 |
| logSw: | -3.9402 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.886 |
| InChI Key: | LDJNNURNJKITKW-HNNXBMFYSA-N |